Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.30 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11207463 | 0.84 | ESR1 (0.34) | ALDH1A1 | |
| SCHEMBL27968387 | 0.84 | ESR1 (0.34) | ALDH1A1 | |
| SCHEMBL11100692 | 0.78 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL28253562 | 0.73 | ESR1 (0.39) | ALDH1A1MEN1KMT2AALDH3A1ALDH1A3 | |
| SCHEMBL28253465 | 0.73 | ESR1 (0.39) | ALDH1A1MEN1KMT2AALDH3A1ALDH1A3 | |
| SCHEMBL9628168 | 0.72 | KDM4E (0.36) | ALDH1A1MEN1KMT2A | |
| SCHEMBL509868 | 0.72 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2A | |
| SCHEMBL27347287 | 0.71 | ALDH1A1 (0.32) | ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL28472818 | 0.71 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2A | |
| SCHEMBL27778437 | 0.71 | ALOX15 (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102348679-B | Carbamate compound and method for producing same, and isocyanate and method for producing same | MITSUI CHEMICALS INC | 2014-09-10 | — | — | CN | disclosed |
| CN-103492364-A | Method for manufacturing tolylene diisocyanate | MITSU CHEMICALS INC | 2014-01-01 | — | — | CN | disclosed |
| US-4430505-A | UREA, PRIMARY AMINES, ALCOHOLS | BAYER AKTIENGESELLSCHAFT (DE) | 1984-02-07 | — | — | US | disclosed |